(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol

C14H19NO4 — CID 124926163

IUPAC(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@H](O)[C@@H](O)/C=N/c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO4/c16-8-13(18)14(19)12(17)7-15-11-5-4-9-2-1-3-10(9)6-11/h4-7,12-14,16-19H,1-3,8H2/b15-7+/t12-,13-,14+/m0/s1
InChIKeyGRSCFUUYYDAGQQ-OZGXQVAYSA-N
MW265.31 g/mol
LogP-0.05
Rot. Bonds5

About (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol

(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol (PubChem CID 124926163) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol
PubChem CID124926163
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol
SMILESOC[C@H](O)[C@H](O)[C@@H](O)/C=N/c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO4/c16-8-13(18)14(19)12(17)7-15-11-5-4-9-2-1-3-10(9)6-11/h4-7,12-14,16-19H,1-3,8H2/b15-7+/t12-,13-,14+/m0/s1
InChIKeyGRSCFUUYYDAGQQ-OZGXQVAYSA-N
XLogP-0.05
TPSA93.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol?
The IUPAC name of (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol (CID 124926163) is (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol is OC[C@H](O)[C@H](O)[C@@H](O)/C=N/c1ccc2c(c1)CCC2.
What is the InChIKey of (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol?
The InChIKey is GRSCFUUYYDAGQQ-OZGXQVAYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-8-13(18)14(19)12(17)7-15-11-5-4-9-2-1-3-10(9)6-11/h4-7,12-14,16-19H,1-3,8H2/b15-7+/t12-,13-,14+/m0/s1.
What are the key properties of (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol?
(2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol has a molecular weight of 265.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-5-(2,3-dihydro-1H-inden-5-ylimino)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 124926163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).